CID 47003593

6-amino-6-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H12F3NO2
SMILES
C1C(CC12CC(C2)(C(F)(F)F)N)C(=O)O
InChI
InChI=1S/C9H12F3NO2/c10-9(11,12)8(13)3-7(4-8)1-5(2-7)6(14)15/h5H,1-4,13H2,(H,14,15)
InChIKey
XXZWIOKMOMJQMA-UHFFFAOYSA-N
Compound name
2-amino-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08202 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08930 150.8
[M+Na]+ 246.07124 155.2
[M-H]- 222.07474 151.3
[M+NH4]+ 241.11584 158.4
[M+K]+ 262.04518 158.4
[M+H-H2O]+ 206.07928 137.0
[M+HCOO]- 268.08022 162.9
[M+CH3COO]- 282.09587 198.4
[M+Na-2H]- 244.05669 153.2
[M]+ 223.08147 159.7
[M]- 223.08257 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.